Reaktoro  v2.11.0
A unified framework for modeling chemically reactive systems
StandardThermoModelMaierKelley.hpp
1 // Reaktoro is a unified framework for modeling chemically reactive systems.
2 //
3 // Copyright © 2014-2024 Allan Leal
4 //
5 // This library is free software; you can redistribute it and/or
6 // modify it under the terms of the GNU Lesser General Public
7 // License as published by the Free Software Foundation; either
8 // version 2.1 of the License, or (at your option) any later version.
9 //
10 // This library is distributed in the hope that it will be useful,
11 // but WITHOUT ANY WARRANTY; without even the implied warranty of
12 // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
13 // Lesser General Public License for more details.
14 //
15 // You should have received a copy of the GNU Lesser General Public License
16 // along with this library. If not, see <http://www.gnu.org/licenses/>.
17 
18 #pragma once
19 
20 // Reaktoro includes
21 #include <Reaktoro/Core/StandardThermoModel.hpp>
22 
23 namespace Reaktoro {
24 
27 {
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51 };
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55 
56 } // namespace Reaktoro
The namespace containing all components of the Reaktoro library.
Definition: Algorithms.hpp:29
autodiff::real real
The number type used throughout the library.
Definition: Real.hpp:26
Model< StandardThermoProps(real T, real P)> StandardThermoModel
The function type for calculation of standard thermodynamic properties of a species.
Definition: StandardThermoModel.hpp:30
auto StandardThermoModelMaierKelley(const StandardThermoModelParamsMaierKelley &params) -> StandardThermoModel
Return a function that calculates thermodynamic properties of a species using the Maier-Kelley model.
The parameters in the Maier-Kelley model for calculating standard thermodynamic properties of fluid a...
Definition: StandardThermoModelMaierKelley.hpp:27
real Gf
The apparent standard molar Gibbs free energy of formation of the substance from its elements (in J/m...
Definition: StandardThermoModelMaierKelley.hpp:29
real Tmax
The maximum temperature at which the Maier-Kelley model can be applied for the substance (optional,...
Definition: StandardThermoModelMaierKelley.hpp:50
real c
The coefficient c of the Maier-Kelley model (in (J·K)/mol).
Definition: StandardThermoModelMaierKelley.hpp:47
real Sr
The standard molar entropy of the substance at reference temperature and pressure (in J/(mol·K)).
Definition: StandardThermoModelMaierKelley.hpp:35
real Hf
The apparent standard molar enthalpy of formation of the substance from its elements (in J/mol).
Definition: StandardThermoModelMaierKelley.hpp:32
real b
The coefficient b of the Maier-Kelley model (in J/(mol·K²)).
Definition: StandardThermoModelMaierKelley.hpp:44
real Vr
The standard molar volume of the mineral substance at reference temperature and pressure (in unit of ...
Definition: StandardThermoModelMaierKelley.hpp:38
real a
The coefficient a of the Maier-Kelley model (in J/(mol·K)).
Definition: StandardThermoModelMaierKelley.hpp:41